5,6-diethyl-1,4-dithian-2-ol

C8H16OS2 — CID 58105778

IUPAC5,6-diethyl-1,4-dithian-2-ol
SMILESCCC1SCC(O)SC1CC
InChIInChI=1S/C8H16OS2/c1-3-6-7(4-2)11-8(9)5-10-6/h6-9H,3-5H2,1-2H3
InChIKeyXQUAVZVBMBIWDY-UHFFFAOYSA-N
MW192.35 g/mol
LogP2.34
Rot. Bonds2

About 5,6-diethyl-1,4-dithian-2-ol

5,6-diethyl-1,4-dithian-2-ol (PubChem CID 58105778) has the molecular formula C8H16OS2 and a molecular weight of 192.35 g/mol. Its IUPAC name is 5,6-diethyl-1,4-dithian-2-ol.

Molecular Properties

Compound Name5,6-diethyl-1,4-dithian-2-ol
PubChem CID58105778
Molecular FormulaC8H16OS2
Molecular Weight192.35 g/mol
Exact Mass192.06
IUPAC Name5,6-diethyl-1,4-dithian-2-ol
SMILESCCC1SCC(O)SC1CC
InChIInChI=1S/C8H16OS2/c1-3-6-7(4-2)11-8(9)5-10-6/h6-9H,3-5H2,1-2H3
InChIKeyXQUAVZVBMBIWDY-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-1,4-dithian-2-ol?
The IUPAC name of 5,6-diethyl-1,4-dithian-2-ol (CID 58105778) is 5,6-diethyl-1,4-dithian-2-ol.
What is the SMILES notation for 5,6-diethyl-1,4-dithian-2-ol?
The canonical SMILES for 5,6-diethyl-1,4-dithian-2-ol is CCC1SCC(O)SC1CC.
What is the InChIKey of 5,6-diethyl-1,4-dithian-2-ol?
The InChIKey is XQUAVZVBMBIWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS2/c1-3-6-7(4-2)11-8(9)5-10-6/h6-9H,3-5H2,1-2H3.
What are the key properties of 5,6-diethyl-1,4-dithian-2-ol?
5,6-diethyl-1,4-dithian-2-ol has a molecular weight of 192.35 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-1,4-dithian-2-ol is sourced from PubChem (CID 58105778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).